emmet.core.featurization.robocrys.describe.adapter

This module implements a class to resolve the symbolic references in condensed structure data.

Classes

ComponentDetails

ComponentDetails(formula, count, dimensionality, molecule_name, orientation, nsites, index)

ComponentGroup

ComponentGroup(formula, dimensionality, count, components, molecule_name, nsites)

DescriptionAdapter

Class to facilitate pulling data from the condensed structure dictionary.

NeighborSiteDetails

NeighborSiteDetails(element, count, sites, sym_label)

NextNeighborSiteDetails

NextNeighborSiteDetails(element, count, geometry, sites, sym_label, connectivity, poly_formula)

SiteGroup

SiteGroup(element, count, sites)

TYPE_CHECKING

bool(x) -> bool